SCHEMBL775864

SCHEMBL775864

O=C(O)N1CC[C@H](n2cnc3c(N4CCOCC4)nc(Cl)nc32)C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.49
MTOR P42345 11/20 0.49
PIK3CG P48736 11/20 0.49
NT5E P21589 4/20 0.48
ADORA3 P0DMS8 4/20 0.42
PNP P00491 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4556426 0.94 PIK3CA (0.52) PIK3CAMTORPIK3CGNT5EADORA3
SCHEMBL336144 0.86 PIK3CA (0.46) PIK3CAMTORPIK3CGNT5E
SCHEMBL25237682 0.83 NT5E (0.52) PIK3CAMTORPIK3CGNT5E
SCHEMBL774618 0.82 PNP (0.46) ADORA3PNP
SCHEMBL4446284 0.82 PIK3CA (0.49) PIK3CAMTORPIK3CGNT5E
SCHEMBL18114702 0.79 NT5E (0.47) PIK3CAMTORNT5E
Trifluoroacetic Acid SCHEMBL4448005 0.79 PIK3CA (0.55) PIK3CAMTORPIK3CGNT5EADORA3
SCHEMBL27781912 0.79 NT5E (0.47) PIK3CAMTORPIK3CGNT5E
SCHEMBL4440236 0.77 PIK3CA (0.69) PIK3CAMTORPIK3CG
SCHEMBL16473605 0.77 PIK3CA (0.55) PIK3CAMTORPIK3CGNT5E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336132-B1 MORPHOLINOPURINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-01-01 EP disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2336132-A1 MORPHOLINOPURINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-06-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CA 22/4885MTOR 1/4885PIK3CG 87/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.